N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine

C14H20FNO2S — CID 114871597

IUPACN-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine
SMILESCCC(NC1CCCS(=O)(=O)C1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2S/c1-2-14(11-5-3-6-12(15)9-11)16-13-7-4-8-19(17,18)10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3
InChIKeyIDHTWLLQMCEBCB-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine

N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine (PubChem CID 114871597) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine
PubChem CID114871597
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine
SMILESCCC(NC1CCCS(=O)(=O)C1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2S/c1-2-14(11-5-3-6-12(15)9-11)16-13-7-4-8-19(17,18)10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3
InChIKeyIDHTWLLQMCEBCB-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)propyl]-1,1-dioxothian-3-amine
CID 63922699
N-[1-(4-ethylphenyl)propyl]-1,1-dioxothian-3-amine
CID 63923514
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531
N-[1-(4-methylphenyl)propyl]-1,1-dioxothiolan-3-amine
CID 43177616
N-[1-(2,6-difluorophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63922629
3-[(1,1-dioxothian-3-yl)amino]-3-phenylpropanenitrile
CID 63923333
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661
N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
CID 114871515
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine (CID 114871597) is N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine is CCC(NC1CCCS(=O)(=O)C1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine?
The InChIKey is IDHTWLLQMCEBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-2-14(11-5-3-6-12(15)9-11)16-13-7-4-8-19(17,18)10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine?
N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine has a molecular weight of 285.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine is sourced from PubChem (CID 114871597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).